Geometry & MOs

Info

ID:	55518
PubChem CID:	17395494
Reduced:	OS2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	101.99
Dipole, Da:	6.51
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C(C#N)C3=NC(=CS3)C

DOS

IR

Vibrations