Geometry & MOs

Info

ID:	389396
PubChem CID:	134992695
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	2.44
IP(EA), eV:	-9.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(benzotriazol-1-yl)-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C1C[C@@]([C@@]1(C2=CC=CC=C2)O)(C3=CC=CC=C3)O

DOS

IR

Vibrations