Geometry & MOs

Info

ID:	65669
PubChem CID:	46386734
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	2.96
IP(EA), eV:	-8.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4)OC

DOS

IR

Vibrations