Geometry & MOs

Info

ID:	442974
PubChem CID:	135257219
Reduced:	ClO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	382.330777
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	6.76
IP(EA), eV:	-7.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)amino]-N-(1-ethylpiperidin-4-yl)butanamide

Drug info:

PubChemData

Smile

CC1CCC/C(=C\NC\2=CC(=CN/C2=C\N)Cl)/C13C(=O)NC(=O)N3

DOS

IR

Vibrations