Geometry & MOs

Info

ID:	340508
PubChem CID:	127262519
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	77.38
Dipole, Da:	5.8
IP(EA), eV:	-8.21(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-1,5-dien-1-ylmethyl pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC2=N/C(=C\3/C=CNN3)/C=C21

DOS

IR

Vibrations