Geometry & MOs

Info

ID:	247609
PubChem CID:	103072391
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	6.79
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N=C1)CC(=C)CN

DOS

IR

Vibrations