Geometry & MOs

Info

ID:	26866
PubChem CID:	800513
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	336.069927
ΔH_f, kcal/mol:	27.38
Dipole, Da:	5.62
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations