Geometry & MOs

Info

ID:	67339
PubChem CID:	46506303
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	7.62
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations