Geometry & MOs

Info

ID:	65682
PubChem CID:	46386747
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.07
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)NC1=C(NC2=CC=CC=C21)C3=CN=CC=C3

DOS

IR

Vibrations