Geometry & MOs

Info

ID:	406479
PubChem CID:	135077750
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	3.49
IP(EA), eV:	-9.8(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(dimethylamino)-3-(4-methylbenzoyl)-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

CC1(C[C@@H]2CC3CC[C@]3(C([C@@H]2C1)C=O)O)C

DOS

IR

Vibrations