Geometry & MOs

Info

ID:	434233
PubChem CID:	135174466
Reduced:	FO4N6C32H33 (1)
Stoich.:	AB4C6D32E33 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	4.07
IP(EA), eV:	-8.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,3-dimethyl-4-(2-methylpropanoyl)cyclohexyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C(=NC(=N2)NC3=C(C=C(C=C3)C(=O)C)F)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)NC1=O

DOS

IR

Vibrations