Geometry & MOs

Info

ID:	68649
PubChem CID:	46508832
Reduced:	BrO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	2.7
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(COC4=CC=C(C=C4)Br)O

DOS

IR

Vibrations