Geometry & MOs

Info

ID:	7151
PubChem CID:	71388
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	4.35
IP(EA), eV:	-8.66(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formaldehyde;oxirane;4-(2,4,4-trimethylpentan-2-yl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1

DOS

IR

Vibrations