Geometry & MOs

Info

ID:	216815
PubChem CID:	85086820
Reduced:	ClOSN4H9C13 (1)
Stoich.:	ABCD4E9F13 (1)
Weight, g/mol:	304.109089
ΔH_f, kcal/mol:	68.94
Dipole, Da:	6.6
IP(EA), eV:	-9.02(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(2-cyano-1-piperidin-1-ylethenyl)urea

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC(=O)C2=C(C1Cl)SC3=CC=NC=C3)N

DOS

IR

Vibrations