Geometry & MOs

Info

ID:	344088
PubChem CID:	127267264
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-109.96
Dipole, Da:	3.06
IP(EA), eV:	-9.11(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyanomethyl)-3,5-dimethyl-N-(6-methylpyridin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCCOC(=O)C

DOS

IR

Vibrations