Geometry & MOs

Info

ID:	264298
PubChem CID:	103451047
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	5.67
Dipole, Da:	4.19
IP(EA), eV:	-10.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-2-propan-2-ylpyrazol-3-yl)-(4-methylcyclohexen-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(=CC1)C(=O)C2=CN=CN=C2

DOS

IR

Vibrations