Geometry & MOs

Info

ID:	375331
PubChem CID:	131499988
Reduced:	O2N3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	6.3
IP(EA), eV:	-9.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-amino-2-methylbutyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC2=CN=CO2

DOS

IR

Vibrations