Geometry & MOs

Info

ID:	185612
PubChem CID:	77320288
Reduced:	Cl2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	514.215384
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	4.12
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(3,4-dichlorophenyl)-4-spiro[indene-3,4'-piperidine]-1-ylbutyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1CNCC1OC(CC2=C(C=CC3=C2C(=CO3)O)C(=N)N)C4=CC=CC=C4.Cl.Cl

DOS

IR

Vibrations