Geometry & MOs

Info

ID:	234558
PubChem CID:	92298687
Reduced:	ClON6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	105.87
Dipole, Da:	6.17
IP(EA), eV:	-8.7(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4R)-N-naphthalen-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(N=C3N=NNN3[C@@H]2C4=CC=CC=C4Cl)C

DOS

IR

Vibrations