Geometry & MOs

Info

ID:	198453
PubChem CID:	79102699
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	6.62
Dipole, Da:	3.89
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-aminoethyl)pyrrol-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(C1=CN(C=C1)CC2=NC(=CC=C2)OC)N

DOS

IR

Vibrations