Geometry & MOs

Info

ID:	425162
PubChem CID:	135125386
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	2.65
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-cyclopropylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC=NC=C4)CC1

DOS

IR

Vibrations