Geometry & MOs

Info

ID:	151258
PubChem CID:	53790958
Reduced:	SN4O4C27H30 (1)
Stoich.:	AB4C4D27E30 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	3.68
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylphenyl)phenol

Drug info:

PubChemData

Smile

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=C(C=C3)NC(=O)C4=C(N=C(S4)C)C

DOS

IR

Vibrations