Geometry & MOs

Info

ID:	121989
PubChem CID:	50789064
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	6.7
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[butyl(methyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CC(=C2)C3CCCN(C3)C(=O)NC

DOS

IR

Vibrations