Geometry & MOs

Info

ID:	67341
PubChem CID:	46506308
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	6.27
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations