Geometry & MOs

Info

ID:	30657
PubChem CID:	841630
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	343.14514
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	3.48
IP(EA), eV:	-9.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=O)C2=NC=CN=C2

DOS

IR

Vibrations