Geometry & MOs

Info

ID:	348050
PubChem CID:	127273112
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	8.15
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-3-yl]-4,4-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)N2CCC(CC2)(C)C

DOS

IR

Vibrations