Geometry & MOs

Info

ID:	269908
PubChem CID:	103619640
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	1.79
IP(EA), eV:	-9.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(pyrimidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCCNC(=O)NCC1=NC=NC=C1

DOS

IR

Vibrations