Geometry & MOs

Info

ID:	30801
PubChem CID:	841940
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	311.005074
ΔH_f, kcal/mol:	27.56
Dipole, Da:	5.41
IP(EA), eV:	-8.36(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations