Geometry & MOs

Info

ID:	286744
PubChem CID:	104222241
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-3.42
Dipole, Da:	5.65
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N2C1CN(CC2)C3=NC=C(C=N3)CN

DOS

IR

Vibrations