Geometry & MOs

Info

ID:	29137
PubChem CID:	831838
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	264.023645
ΔH_f, kcal/mol:	4.63
Dipole, Da:	3.83
IP(EA), eV:	-8.86(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-pyrimidin-2-ylthiourea

Drug info:

PubChemData

Smile

CC(C)[C@@](C#CCN1CCCCC1)(C2=CC=CC=C2)O

DOS

IR

Vibrations