Geometry & MOs

Info

ID:	244980
PubChem CID:	99431925
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	4.47
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[2-(2-propan-2-yloxyphenyl)acetyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C

DOS

IR

Vibrations