Geometry & MOs

Info

ID:	67332
PubChem CID:	46506290
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	7.97
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

DOS

IR

Vibrations