Geometry & MOs

Info

ID:	48925
PubChem CID:	11528484
Reduced:	NPO2C8H16 (1)
Stoich.:	ABC2D8E16 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	2.99
IP(EA), eV:	-9.68(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCCP(=O)(C1=CCC(C1)N)O

DOS

IR

Vibrations