Geometry & MOs

Info

ID:

185605

PubChem CID:

77320054

Reduced:

N3O5C31H45 (1)

Stoich.:

A3B5C31D45 (1)

Weight, g/mol:

670.43055

ΔHf, kcal/mol:

-182.29

Dipole, Da:

2.34

IP(EA), eV:

 -8.06(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-aminopropanoyl-[3-[4-(2-methoxyethoxymethyl)phenyl]-2-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]butyl]amino]-N,2,2-trimethylbutanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCC(C(C1)OCC2=CC3=C(C=C2)OCCN3CCCOC)C4=CC=C(C=C4)OC)N

DOS

IR

Vibrations