Geometry & MOs

Info

ID:	427970
PubChem CID:	135165611
Reduced:	OCl2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-56.53
Dipole, Da:	1.84
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(methylamino)-4-methylidenehept-6-en-3-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)O)Cl)Cl

DOS

IR

Vibrations