Geometry & MOs

Info

ID:	137137
PubChem CID:	52157828
Reduced:	NO3C14H15 (2)
Stoich.:	AB3C14D15 (2)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-146.19
Dipole, Da:	7.45
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-oxo-N-(2-propan-2-ylpyrazol-3-yl)-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)[C@@H]2C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C(=O)N2CCN5CCCCC5

DOS

IR

Vibrations