Geometry & MOs

Info

ID:	240596
PubChem CID:	93616666
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	6.95
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)NC2=CC3=C(C=C2)O[C@H](C(=O)N3)C)C

DOS

IR

Vibrations