Geometry & MOs

Info

ID:	188061
PubChem CID:	77662649
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	426.159787
ΔH_f, kcal/mol:	28.53
Dipole, Da:	2.17
IP(EA), eV:	-9.72(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-(3-chloro-4-hydroxyphenyl)-2,2,6,6-tetramethyloxan-4-ylidene]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C[N+](=CC2=NC=CC(=O)C21)[O-]

DOS

IR

Vibrations