Geometry & MOs

Info

ID:	413449
PubChem CID:	135086398
Reduced:	NOH16C18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	37.78
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.920704
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methoxyphenyl)-2-phenylmethoxyprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=C(C=CC(=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations