Geometry & MOs

Info

ID:	354185
PubChem CID:	127286149
Reduced:	OF3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=N4

DOS

IR

Vibrations