Geometry & MOs

Info

ID:	286745
PubChem CID:	104222244
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	16.2
Dipole, Da:	5.59
IP(EA), eV:	-8.77(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(propylaminomethyl)pyrimidin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

C1CC1NCC2=CN=C(N=C2)N3CCN4C(C3)CCC4=O

DOS

IR

Vibrations