Geometry & MOs

Info

ID:	73904
PubChem CID:	48421001
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	333.221641
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	10.65
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations