Geometry & MOs

Info

ID:	84761
PubChem CID:	49869733
Reduced:	N4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	129.13
Dipole, Da:	5.32
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)C3(N=C(C(=N3)N)C)C(C)C

DOS

IR

Vibrations