Geometry & MOs

Info

ID:	65728
PubChem CID:	46386796
Reduced:	FO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-96.37
Dipole, Da:	7.03
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-3-(2-pyridin-4-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)NC1=C(NC2=C1C=C(C=C2)F)C3=CN=CC=C3

DOS

IR

Vibrations