Geometry & MOs

Info

ID:	146014
PubChem CID:	53624207
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	338.293328
ΔH_f, kcal/mol:	19.04
Dipole, Da:	3.05
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-(2,2,6-trimethylheptan-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NC(=O)C2=NOC(C2)C3=CC=CC=C3

DOS

IR

Vibrations