Geometry & MOs

Info

ID:	28543
PubChem CID:	828262
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	308.141245
ΔH_f, kcal/mol:	26.88
Dipole, Da:	2.03
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetylnaphthalen-1-yl) (1S,6S)-bicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C

DOS

IR

Vibrations