Geometry & MOs

Info

ID:	126102
PubChem CID:	50951650
Reduced:	N3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	53.16
Dipole, Da:	4.67
IP(EA), eV:	-8.24(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)CC(C)NC2=NC=C(C(=N2)N(C)C)C

DOS

IR

Vibrations