Geometry & MOs

Info

ID:	173037
PubChem CID:	75587323
Reduced:	O4C31H48 (1)
Stoich.:	A4B31C48 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-229.17
Dipole, Da:	4.52
IP(EA), eV:	-9.29(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(4,5-dimethylpyrazolidin-3-yl)-N-[(2-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C(C1(C)CCC(=O)OC)CC=C3C2(CCC4(C3CC(CC4)(C)C(=O)O)C)C)C

DOS

IR

Vibrations