Geometry & MOs

Info

ID:	363775
PubChem CID:	127313415
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	5.45
IP(EA), eV:	-8.74(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations