Geometry & MOs

Info

ID:	166564
PubChem CID:	74710655
Reduced:	N3O4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	365.234137
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	9.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122390
Charge, e:	1

Chem-info

IUPAC name:

5-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C[NH+]2C1=NC(=CC2=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C

DOS

IR

Vibrations