Geometry & MOs

Info

ID:	44280
PubChem CID:	10502401
Reduced:	SN7H17C23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	219.21
Dipole, Da:	3.83
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-methoxy-7-(methoxymethoxy)-3-methyl-2-phenyl-1-propylindol-4-yl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NN=C4N3N=C(S4)C5=CC=CC6=CC=CC=C65)C

DOS

IR

Vibrations