Geometry & MOs

Info

ID:	173204
PubChem CID:	75610647
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	5.94
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-2-propoxyphenyl)methylideneamino]-3-ethylthiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations