Geometry & MOs

Info

ID:	427968
PubChem CID:	135165609
Reduced:	ClFO2N5C25H27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	3.76
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-di(propan-2-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C2=C(C=C3C(NC(=O)N(C3=N2)CC4CC4)N5CCN(CC5)C(=O)C=C)Cl

DOS

IR

Vibrations