Geometry & MOs

Info

ID:	381943
PubChem CID:	134972812
Reduced:	OCl2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	297.157623
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	5.52
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(cyclohexen-1-yl)-2-(ethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)C2=CC=CC=C2C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations