Geometry & MOs

Info

ID:	293913
PubChem CID:	117415853
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	264.20893
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	4.1
IP(EA), eV:	-7.86(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)OC)O)C2CC(CN2C)CN

DOS

IR

Vibrations