Geometry & MOs

Info

ID:	30402
PubChem CID:	841257
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	5.88
Dipole, Da:	5.26
IP(EA), eV:	-8.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1=CN=CC=C1)NC2=CC=CC(=C2C)C

DOS

IR

Vibrations