Geometry & MOs

Info

ID:	164088
PubChem CID:	74381844
Reduced:	F2O3N5C26H33 (1)
Stoich.:	A2B3C5D26E33 (1)
Weight, g/mol:	336.241293
ΔH_f, kcal/mol:	-116.2
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-4-methylpentyl] 4-amino-3-butoxybenzoate

Drug info:

PubChemData

Smile

C1CC1N2CCC3(CC2)CN(C3)OC(=O)NC(CC(CC4=CC=CC=C4)(F)F)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations