Geometry & MOs

Info

ID:	65651
PubChem CID:	46386715
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	18.64
Dipole, Da:	7.76
IP(EA), eV:	-8.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,4-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

DOS

IR

Vibrations