Geometry & MOs

Info

ID:	404053
PubChem CID:	135064810
Reduced:	N2O4C12H13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	336.136159
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924059
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-(2,4,5-trimethoxyphenyl)phenol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C1=CC=C(C=C1)CO)\[N+]#N)/O

DOS

IR

Vibrations