Geometry & MOs

Info

ID:	148544
PubChem CID:	53788210
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	127.074562
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	5.94
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations