Geometry & MOs

Info

ID:	27353
PubChem CID:	820880
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	186.055991
ΔH_f, kcal/mol:	40.78
Dipole, Da:	6.03
IP(EA), eV:	-9.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-pyrrol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=CC=CC=C21)C#N)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations