Geometry & MOs

Info

ID:	129874
PubChem CID:	51074112
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	333.070261
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	3.9
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C(CNC(=O)NCC2=CN=CC=C2)C3=CC=CO3

DOS

IR

Vibrations