Geometry & MOs

Info

ID:	234000
PubChem CID:	92297508
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	394.178024
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	5.93
IP(EA), eV:	-8.52(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6S)-6-(2-ethoxyphenyl)-4-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)N2CCN3C=CC=C3[C@H]2C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations