Geometry & MOs

Info

ID:	222509
PubChem CID:	85300960
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	3.67
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8'a-(3-oxopropyl)spiro[1,3-dioxolane-2,6'-3,4,4a,5-tetrahydro-1H-isoquinoline]-2'-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)C=CC(=O)OC

DOS

IR

Vibrations