Geometry & MOs

Info

ID:	67331
PubChem CID:	46506288
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations