Geometry & MOs

Info

ID:	255155
PubChem CID:	103130402
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	177.06506
ΔH_f, kcal/mol:	59.71
Dipole, Da:	5.18
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CC3=CC=CC=C23

DOS

IR

Vibrations