Geometry & MOs

Info

ID:	172554
PubChem CID:	75524414
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	6.96
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-cyanopropoxy)pyridin-2-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2=CC(=NC(=C2)Cl)Cl

DOS

IR

Vibrations