Geometry & MOs

Info

ID:	178263
PubChem CID:	76306416
Reduced:	O4N5C20H32 (1)
Stoich.:	A4B5C20D32 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-180.64
Dipole, Da:	8.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757162
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(1-methylpyrazol-4-yl)-N-[3-(5-phenylpyrazolidin-3-yl)propyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)N)C(=O)CN2CCCC(C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations