Geometry & MOs

Info

ID:	245156
PubChem CID:	99437709
Reduced:	O3N4C26H36 (1)
Stoich.:	A3B4C26D36 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	9.24
IP(EA), eV:	-8.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations