Geometry & MOs

Info

ID:	401515
PubChem CID:	135051502
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	3.58
IP(EA), eV:	-8.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5-methoxy-2-nitrophenyl)-4-methyl-5-phenylpent-4-enenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(OC(=CS2)C3=CC=CC=C3)N

DOS

IR

Vibrations