Geometry & MOs

Info

ID:	65769
PubChem CID:	46386848
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	3.26
Dipole, Da:	3.35
IP(EA), eV:	-8.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(3-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations