Geometry & MOs

Info

ID:	342535
PubChem CID:	127265690
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	2.67
IP(EA), eV:	-8.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]prop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CNC(C)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations