Geometry & MOs

Info

ID:	61627
PubChem CID:	26711241
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	3.86
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations