Geometry & MOs

Info

ID:	425361
PubChem CID:	135126050
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	5.2
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-methyl-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CC1)OCCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)C

DOS

IR

Vibrations