Geometry & MOs

Info

ID:	147051
PubChem CID:	53786538
Reduced:	NO3H24C25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	2.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033140
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-3,5-dimethoxyphenyl)-2-methyl-3-(6-propan-2-yl-1H-indol-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC[N+](=C=O)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C3CC(C4=CC=CC=C4O3)(C)C

DOS

IR

Vibrations