Geometry & MOs

Info

ID:	166975
PubChem CID:	74760415
Reduced:	O2N3C9H14 (2)
Stoich.:	A2B3C9D14 (2)
Weight, g/mol:	317.146545
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	2.35
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-2-(2-phenylpyrrolidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C2NC3C(N2C1)C(=O)N(C(=O)N3C)CC=C)CC(=O)OC

DOS

IR

Vibrations