Geometry & MOs

Info

ID:	405047
PubChem CID:	135072267
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	3.8
IP(EA), eV:	-9.0(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-pyrrol-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C3CCC(C3)C2C=O

DOS

IR

Vibrations