Geometry & MOs

Info

ID:	396295
PubChem CID:	135028004
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-106.02
Dipole, Da:	7.29
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(3,4-dimethoxyphenyl)-4-ethoxy-2-oxocyclohex-3-en-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

COC(=O)C1CC(N2C3=CC=CC=C3C(=C2C1C4=CC=CC=C4)C=O)O

DOS

IR

Vibrations