Geometry & MOs

Info

ID:	123071
PubChem CID:	50831990
Reduced:	ClO3N6H23C25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	4.87
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CC4=NC(=NO4)C(C)C)CC(=O)NC5=CC(=CC=C5)Cl

DOS

IR

Vibrations