Geometry & MOs

Info

ID:	343313
PubChem CID:	127266486
Reduced:	ON2C16H18 (2)
Stoich.:	AB2C16D18 (2)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	39.41
Dipole, Da:	5.05
IP(EA), eV:	-7.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-phenyl-N-pyridin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=C2CCC(=C2N3CCOCC3)C=NN/C=C/4\C(=O)C=CC5=CC=CC=C54

DOS

IR

Vibrations