Geometry & MOs

Info

ID:	82397
PubChem CID:	49855979
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	194.178299
ΔH_f, kcal/mol:	45.49
Dipole, Da:	2.29
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCCC3=CC=CC=C3)CN1

DOS

IR

Vibrations