Geometry & MOs

Info

ID:	82550
PubChem CID:	49856169
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	7.81
Dipole, Da:	3.11
IP(EA), eV:	-8.79(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2[C@H]3[C@@H]2CNC3

DOS

IR

Vibrations