Geometry & MOs

Info

ID:	28021
PubChem CID:	824919
Reduced:	ClNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	7.1
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-propan-2-yloxyphenyl)methyl]-3-(pyridin-3-ylmethylideneamino)thiourea

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations