Geometry & MOs

Info

ID:	20722
PubChem CID:	585367
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	4.25
IP(EA), eV:	-8.99(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclohexyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(C1)(C2CCCCC2)O)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations