Geometry & MOs

Info

ID:	74092
PubChem CID:	48421449
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	2.57
IP(EA), eV:	-8.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations