Geometry & MOs

Info

ID:	81540
PubChem CID:	49854842
Reduced:	N4H10C15 (1)
Stoich.:	A4B10C15 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	132.21
Dipole, Da:	7.07
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-1H-indol-3-yl)-3-pyrimidin-5-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CN=CN=C3)/C#N

DOS

IR

Vibrations