Geometry & MOs

Info

ID:	52757
PubChem CID:	12015867
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-107.49
Dipole, Da:	3.22
IP(EA), eV:	-8.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridin-8a-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)/C=C/1\CCCN1[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations