Geometry & MOs

Info

ID:	44512
PubChem CID:	10503860
Reduced:	NO4H27C29 (1)
Stoich.:	AB4C27D29 (1)
Weight, g/mol:	453.194008
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	9.94
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC(=CC3=CC(=C2)C(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations