Geometry & MOs

Info

ID:	398863
PubChem CID:	135035891
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	3.14
IP(EA), eV:	-7.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-methoxy-6-(2,4,5-trimethoxyphenyl)phenol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3

DOS

IR

Vibrations