Geometry & MOs

Info

ID:	383398
PubChem CID:	134975097
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	1.37
IP(EA), eV:	-9.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-10-methyl-6,10-diazatricyclo[6.3.1.02,6]dodecane

Drug info:

PubChemData

Smile

CCOC1([C@@]2(CC(CO1)(C(OC2)(C3=CC=CC=C3)OCC)C)C)C4=CC=CC=C4

DOS

IR

Vibrations