Geometry & MOs

Info

ID:	155379
PubChem CID:	56353003
Reduced:	OS2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	422.15689
ΔH_f, kcal/mol:	44.03
Dipole, Da:	2.59
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3)N(C)C

DOS

IR

Vibrations