Geometry & MOs

Info

ID:	377670
PubChem CID:	134223734
Reduced:	ON2H38C57 (1)
Stoich.:	AB2C38D57 (1)
Weight, g/mol:	196.182715
ΔH_f, kcal/mol:	195.58
Dipole, Da:	2.54
IP(EA), eV:	-7.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(3-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=C(C=C6)C7=CC=CC=C7)C=CC(=C5)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations