Geometry & MOs

Info

ID:	409612
PubChem CID:	135082394
Reduced:	O3N5C69H69 (1)
Stoich.:	A3B5C69D69 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	228.35
Dipole, Da:	13.01
IP(EA), eV:	-7.04(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-acetyl-3,4-dimethylidenecyclohexyl] acetate

Drug info:

Smile

CC(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC(=O)C8=CC(=O)C=CC8=O)C9=CC(=CC(=C9)C(C)C)C(C)C)C1=CC(=CC(=C1)C(C)C)C(C)C)N3)C(C)C

DOS

IR

Vibrations