Geometry & MOs

Info

ID:	128319
PubChem CID:	51038910
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	3.0
IP(EA), eV:	-9.12(2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-(3-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)urea

Drug info:

PubChemData

Smile

CC1(C2CC3CC(C2)CC1(C3)N)O

DOS

IR

Vibrations