Geometry & MOs

Info

ID:	43735
PubChem CID:	10321717
Reduced:	BrOC21H26 (1)
Stoich.:	ABC21D26 (1)
Weight, g/mol:	453.064697
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.108543
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichloropyridin-4-yl)-2-[7-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)CCC3(C=CC(=C[CH+]3)CC2)Br)OC

DOS

IR

Vibrations