Geometry & MOs

Info

ID:	195143
PubChem CID:	78643619
Reduced:	N2O3H18C24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	368.100836
ΔH_f, kcal/mol:	61.95
Dipole, Da:	4.89
IP(EA), eV:	-8.45(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C=C2C(=O)N=C3C=CC=CC3=N2)OCC4=CC=CC=C4

DOS

IR

Vibrations