Geometry & MOs

Info

ID:	441878
PubChem CID:	135246320
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	127.110947
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	8.22
IP(EA), eV:	-9.4(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-propan-2-yl-3H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@](O2)(CC(C)C=C)C(C)C)NC

DOS

IR

Vibrations