Geometry & MOs

Info

ID:	249634
PubChem CID:	103091044
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	2.59
IP(EA), eV:	-9.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(2-phenyltriazol-4-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=NC2=CC=CC=C2C=C1)/C)O

DOS

IR

Vibrations