Geometry & MOs

Info

ID:	45686
PubChem CID:	10516515
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	6.79
IP(EA), eV:	-9.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R,6S)-9-benzyl-2-methyl-3-oxa-9-azatricyclo[4.4.0.02,4]decane-5,6-diol

Drug info:

PubChemData

Smile

CC1CN(C(=O)C(C1=O)C(=O)O)CCC2=CC=CC=C2

DOS

IR

Vibrations