Geometry & MOs

Info

ID:	31747
PubChem CID:	3288099
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	332.165541
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	2.22
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-2-chloropropanamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)C3=C(C=CC=C3OC)OC

DOS

IR

Vibrations