Geometry & MOs

Info

ID:	351140
PubChem CID:	127279698
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.2
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-(3-chloro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2=CC3=C(S2)CCOC3)C

DOS

IR

Vibrations