Geometry & MOs

Info

ID:	123401
PubChem CID:	50845736
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	10.91
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations