Geometry & MOs

Info

ID:	302141
PubChem CID:	124349676
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	2.82
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1'-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]spiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)C/C(=C/C4=CC=CO4)/C

DOS

IR

Vibrations