Geometry & MOs

Info

ID:	134605
PubChem CID:	51723996
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	5.4
IP(EA), eV:	-8.27(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4C[C@H](C[C@@H](C4)C)C

DOS

IR

Vibrations