Geometry & MOs

Info

ID:	342951
PubChem CID:	127266114
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	354.17102
ΔH_f, kcal/mol:	-78.05
Dipole, Da:	9.79
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-aminopiperidin-1-yl]-(4-butoxy-3-chloro-5-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COCC1(CCCN1C(=O)CNC2=CC=C(C=C2)C#N)C(=O)N

DOS

IR

Vibrations