Geometry & MOs

Info

ID:	30790
PubChem CID:	841895
Reduced:	OCl3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	299.085911
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	2.19
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)thiourea

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations