Geometry & MOs

Info

ID:	43035
PubChem CID:	10317952
Reduced:	SN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	385.108086
ΔH_f, kcal/mol:	105.29
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125256
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=N[N+]2=C(N=C(N=C2S1)C3=CC=CC=C3)N(C)C

DOS

IR

Vibrations