Geometry & MOs

Info

ID:	81789
PubChem CID:	49855159
Reduced:	NH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	289.085127
ΔH_f, kcal/mol:	118.32
Dipole, Da:	5.53
IP(EA), eV:	-8.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1H-indol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)N

DOS

IR

Vibrations