Geometry & MOs

Info

ID:	427427
PubChem CID:	135158878
Reduced:	FPN3O3C21H25 (1)
Stoich.:	ABC3D3E21F25 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	2.41
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3S)-3,5-dimethylpiperazin-1-yl]-2-(1-ethyl-3-methylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=O)N3C=C(C=C(C3P2)F)NC4CCNCC4)OC

DOS

IR

Vibrations