Geometry & MOs

Info

ID:	399190
PubChem CID:	135038590
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	6.95
IP(EA), eV:	-9.84(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2,4-dimethyl-5-phenylhexa-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC(C)C[C@H]1CN2C(=CN=N2)CN1C(=O)OC(C)(C)C

DOS

IR

Vibrations