Geometry & MOs

Info

ID:	133552
PubChem CID:	51547855
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	7.41
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-(3-methylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCC[C@H]4[C@H]3CCCC4

DOS

IR

Vibrations