Geometry & MOs

Info

ID:	155253
PubChem CID:	56323956
Reduced:	ON2S2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	1.14
Dipole, Da:	5.37
IP(EA), eV:	-8.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

DOS

IR

Vibrations