Geometry & MOs

Info

ID:	269907
PubChem CID:	103619638
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	1.59
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NCC1=NC=NC=C1

DOS

IR

Vibrations