Geometry & MOs

Info

ID:	159521
PubChem CID:	57288411
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	376.15537
ΔH_f, kcal/mol:	-144.22
Dipole, Da:	2.01
IP(EA), eV:	-9.35(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)-3a-methyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(CN1C(=O)O)(CCCC2=CC=CC=C2)O

DOS

IR

Vibrations