Geometry & MOs

Info

ID:	354269
PubChem CID:	127286233
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	5.58
IP(EA), eV:	-8.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations