Geometry & MOs

Info

ID:	183195
PubChem CID:	76990679
Reduced:	OF2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	3.24
IP(EA), eV:	-9.8(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminobutyl)-6-methyl-5-propan-2-ylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CC1NC(CC(=O)N1)C(F)F)N

DOS

IR

Vibrations