Geometry & MOs

Info

ID:	312297
PubChem CID:	126604158
Reduced:	IOSC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	2.01
IP(EA), eV:	-9.11(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[4-[2-methylprop-2-enyl(prop-2-ynyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COSI

DOS

IR

Vibrations