Geometry & MOs

Info

ID:	207356
PubChem CID:	80386568
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	21.34
Dipole, Da:	8.99
IP(EA), eV:	-9.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-N-methyl-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NN1)C(=O)NC2=NOC=C2

DOS

IR

Vibrations