Geometry & MOs

Info

ID:	353112
PubChem CID:	127284292
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	2.35
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N4CCN(CC4)C5CC5

DOS

IR

Vibrations