Geometry & MOs

Info

ID:	423045
PubChem CID:	135118836
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	2.55
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)CN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations