Geometry & MOs

Info

ID:	244974
PubChem CID:	99431916
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-114.39
Dipole, Da:	2.8
IP(EA), eV:	-8.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NN2C)OCC(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)C

DOS

IR

Vibrations