Geometry & MOs

Info

ID:	149995
PubChem CID:	53789678
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	5.49
IP(EA), eV:	-8.2(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-phenylbutan-2-ol

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4C(=O)CC=C2[C@H]1CC5=C3C(=C(CC5)OC)O4

DOS

IR

Vibrations