Geometry & MOs

Info

ID:	30774
PubChem CID:	841850
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	311.005074
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	2.35
IP(EA), eV:	-9.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-3-(pyridin-4-ylmethyl)thiourea

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)NCC2=CC=CC=C2Cl

DOS

IR

Vibrations