Geometry & MOs

Info

ID:	244975
PubChem CID:	99431917
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	1.68
IP(EA), eV:	-8.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)C(=O)N

DOS

IR

Vibrations