Geometry & MOs

Info

ID:	172028
PubChem CID:	75455335
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	399.189317
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	2.95
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2,2-dimethoxyethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1=NC(=CO1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations