Geometry & MOs

Info

ID:	148671
PubChem CID:	53788339
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	28.65
Dipole, Da:	1.98
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzotriazol-2-yl)-4-methylphenyl]dodecan-2-ol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=NC=C(C=C2)CCC=CC

DOS

IR

Vibrations