Geometry & MOs

Info

ID:	24016
PubChem CID:	607453
Reduced:	N5H27C28 (1)
Stoich.:	A5B27C28 (1)
Weight, g/mol:	433.226646
ΔH_f, kcal/mol:	133.39
Dipole, Da:	2.58
IP(EA), eV:	-8.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylanilino)-2-[(4-methylanilino)-pyridin-4-ylmethyl]-3-pyridin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2=CC=NC=C2)C(C#N)C(C3=CC=NC=C3)NC4=CC=C(C=C4)C

DOS

IR

Vibrations