Geometry & MOs

Info

ID:	319615
PubChem CID:	126656805
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	3.34
IP(EA), eV:	-8.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-2-oxopyrrolidin-3-yl]oxybenzaldehyde

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=C(C=C1)N2CC=C(C2=O)OC3=CC=C(C=C3)C=O)OC)O

DOS

IR

Vibrations