Geometry & MOs

Info

ID:	216935
PubChem CID:	85087007
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	2.74
IP(EA), eV:	-8.93(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzotriazol-1-yl)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol

Drug info:

PubChemData

Smile

CC(C)(C(CC=C)(CC=C)O)ON=C(CC1=CC=CC=C1)OC

DOS

IR

Vibrations