Geometry & MOs

Info

ID:	253675
PubChem CID:	103119916
Reduced:	N6H14C15 (1)
Stoich.:	A6B14C15 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	152.47
Dipole, Da:	5.35
IP(EA), eV:	-7.89(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=NC2=N/C(=C/3\C4=CC=CC=C4N(N3)C)/N=C2C=C1

DOS

IR

Vibrations