Geometry & MOs

Info

ID:	389538
PubChem CID:	134993567
Reduced:	BrNPC8H21 (1)
Stoich.:	ABCD8E21 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	15.69
IP(EA), eV:	-7.39(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(E)-oct-1-enyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N(C)P(C)(C)(C)Br

DOS

IR

Vibrations