Geometry & MOs

Info

ID:	201580
PubChem CID:	79559400
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	3.4
IP(EA), eV:	-9.18(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC3(CCNC3)O

DOS

IR

Vibrations