Geometry & MOs

Info

ID:	217633
PubChem CID:	85088139
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	383.188529
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	4.99
IP(EA), eV:	-10.13(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethylidene)-2-[(4-propoxyphenyl)methyl]isoindol-1-one

Drug info:

PubChemData

Smile

CCCC(C(=O)OC1CC2CCC1(C2(C)C)C)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations