Geometry & MOs

Info

ID:	423737
PubChem CID:	135120134
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	22.4
Dipole, Da:	2.05
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-2-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CC=CC=N3)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations