Geometry & MOs

Info

ID:

424969

PubChem CID:

135124632

Reduced:

O2N6C31H38 (1)

Stoich.:

A2B6C31D38 (1)

Weight, g/mol:

526.305624

ΔHf, kcal/mol:

6.81

Dipole, Da:

4.16

IP(EA), eV:

 -8.96(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[(2R)-2-ethyl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC2=C(O1)C=CC=N2)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)[C@@H](C)C(=O)N)C

DOS

IR

Vibrations