Geometry & MOs

Info

ID:	253563
PubChem CID:	103119270
Reduced:	O3N5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	5.65
IP(EA), eV:	-9.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(1-methylpyrazole-3-carbonyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations