Geometry & MOs

Info

ID:	164051
PubChem CID:	74381668
Reduced:	F2O2N5C20H31 (1)
Stoich.:	A2B2C5D20E31 (1)
Weight, g/mol:	376.272593
ΔH_f, kcal/mol:	-162.89
Dipole, Da:	4.42
IP(EA), eV:	-8.92(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-piperidin-1-ylpentyl) 4-amino-2-butoxybenzoate

Drug info:

PubChemData

Smile

CCCN1CC2(C1)CCN(CC2)C(=O)NC(CC(C)(F)F)C(=O)NC3(CC3)C#N

DOS

IR

Vibrations