Geometry & MOs

Info

ID:	264277
PubChem CID:	103449698
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	4.21
IP(EA), eV:	-9.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexen-1-yl)-2-(1-methylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCCN1C=CN=C1C(=O)C2(CCCCC2)O

DOS

IR

Vibrations