Geometry & MOs

Info

ID:	81790
PubChem CID:	49855161
Reduced:	O2N3H11C17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	319.095691
ΔH_f, kcal/mol:	105.16
Dipole, Da:	8.73
IP(EA), eV:	-8.91(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-1H-indol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

DOS

IR

Vibrations