Geometry & MOs

Info

ID:	65657
PubChem CID:	46386721
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.03
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations