Geometry & MOs

Info

ID:	183196
PubChem CID:	76990680
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	8.12
IP(EA), eV:	-9.15(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropyl)-5-ethyl-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CC1=NC(=O)C(=C(C)C)C(=N1)C)N

DOS

IR

Vibrations