Geometry & MOs

Info

ID:	444628
PubChem CID:	135263043
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	318.149891
ΔH_f, kcal/mol:	45.76
Dipole, Da:	2.35
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylphenyl]-(5-methylfuran-2-yl)methanamine;hydrochloride

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN5C=CN=C5C4

DOS

IR

Vibrations