Geometry & MOs

Info

ID:	42342
PubChem CID:	8149455
Reduced:	NCl2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	53.66
Dipole, Da:	2.13
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(4-piperidin-1-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations