Geometry & MOs

Info

ID:	442848
PubChem CID:	135256612
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	8.08
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-cyano-4-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=NC(=C3)/C=C/C(=O)O)O)C(CCC2(C)C)(C)C

DOS

IR

Vibrations