Geometry & MOs

Info

ID:	155399
PubChem CID:	56354976
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-152.4
Dipole, Da:	6.98
IP(EA), eV:	-8.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CCN3CCC(CC3)C(=O)N

DOS

IR

Vibrations