Geometry & MOs

Info

ID:	126425
PubChem CID:	50964595
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	5.17
IP(EA), eV:	-8.42(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCC4(CC3)CC(=O)NC4)OCCCO2

DOS

IR

Vibrations