Geometry & MOs

Info

ID:	216915
PubChem CID:	85086967
Reduced:	INO2C10H22 (1)
Stoich.:	ABC2D10E22 (1)
Weight, g/mol:	315.110673
ΔH_f, kcal/mol:	-116.69
Dipole, Da:	11.44
IP(EA), eV:	-7.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-2-nitroprop-1-enyl]phenol

Drug info:

PubChemData

Smile

CC1(CC(CC1O)C[N+](C)(C)C)O.[I-]

DOS

IR

Vibrations