Geometry & MOs

Info

ID:	269909
PubChem CID:	103619641
Reduced:	ON4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	1.7
IP(EA), eV:	-9.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-3-(pyrimidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCNC(=O)NCC1=NC=NC=C1

DOS

IR

Vibrations