Geometry & MOs

Info

ID:	82549
PubChem CID:	49856166
Reduced:	ClO8C19H19 (1)
Stoich.:	AB8C19D19 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-302.51
Dipole, Da:	8.38
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-N-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)C(=O)O

DOS

IR

Vibrations