Geometry & MOs

Info

ID:	82394
PubChem CID:	49855976
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	4.48
Dipole, Da:	8.58
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-N-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NC(=O)C3=CC=CC=C3)CN1C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations