Geometry & MOs

Info

ID:	65644
PubChem CID:	46386708
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	38.43
Dipole, Da:	3.7
IP(EA), eV:	-8.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-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)C

DOS

IR

Vibrations