Geometry & MOs

Info

ID:	392249
PubChem CID:	135013869
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	260.131349
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	2.52
IP(EA), eV:	-9.22(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-3,5,7,9,11,13,15,17-octaen-9-amine

Drug info:

PubChemData

Smile

CCC([C@H]([C@@H](CO)O)NCC1=CC=CC=C1)OC

DOS

IR

Vibrations