Geometry & MOs

Info

ID:	65643
PubChem CID:	46386707
Reduced:	ClON4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	41.44
Dipole, Da:	5.6
IP(EA), eV:	-8.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4)Cl

DOS

IR

Vibrations