Geometry & MOs

Info

ID:	228641
PubChem CID:	87565463
Reduced:	NF3C7H7 (2)
Stoich.:	AB3C7D7 (2)
Weight, g/mol:	361.18305
ΔH_f, kcal/mol:	-286.12
Dipole, Da:	4.28
IP(EA), eV:	-9.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[2.2.0]hexa-1(4),2,5-triene;N-(1-naphthalen-1-ylethyl)-1-phenylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1C=C(C(CC1(N)N)(C(F)(F)F)C(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations