Geometry & MOs

Info

ID:

84319

PubChem CID:

49865740

Reduced:

N2O3C31H32 (1)

Stoich.:

A2B3C31D32 (1)

Weight, g/mol:

622.258006

ΔHf, kcal/mol:

-16.77

Dipole, Da:

4.23

IP(EA), eV:

 -8.42(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 1-[2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]ethyl]-9H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CC2=C1[C@H]3[C@@]45CCN([C@@H]([C@@]4(C2)O)CC6=C5C(=C(C=C6)O)O3)CC7CC7)/C=C/C8=CC=CC=C8

DOS

IR

Vibrations