Geometry & MOs

Info

ID:	404795
PubChem CID:	135071057
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	12.66
Dipole, Da:	2.05
IP(EA), eV:	-8.1(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,2,3,4,4a,5-hexahydropyrido[1,2-a]quinazolin-6-one

Drug info:

PubChemData

Smile

CC1(CC2NCC3=CC=CC=C3N2C1)C

DOS

IR

Vibrations