Geometry & MOs

Info

ID:	61628
PubChem CID:	26711249
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	4.79
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CN(C2=CC=CC=C2O1)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations