Geometry & MOs

Info

ID:	164277
PubChem CID:	74382695
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	-43.06
Dipole, Da:	3.09
IP(EA), eV:	-9.97(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-piperidin-1-ylbutyl) 4-amino-3-propoxybenzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1(CC1)C#N)NC(=O)C2CC23CCC3

DOS

IR

Vibrations