Geometry & MOs

Info

ID:	30797
PubChem CID:	841928
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	277.044046
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	5.77
IP(EA), eV:	-8.39(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-(pyridin-4-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2

DOS

IR

Vibrations