Geometry & MOs

Info

ID:	127179
PubChem CID:	50993455
Reduced:	ClNO8C20H20 (1)
Stoich.:	ABC8D20E20 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-312.49
Dipole, Da:	7.41
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-cyclohexyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=C(C3=C2C(=CC=C3)Cl)C=O

DOS

IR

Vibrations