Geometry & MOs

Info

ID:	345688
PubChem CID:	127269988
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	3.63
IP(EA), eV:	-9.29(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(cycloheptyl)methanone

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2CCCCCC2)C

DOS

IR

Vibrations