Geometry & MOs

Info

ID:	198021
PubChem CID:	79032314
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.68
IP(EA), eV:	-8.62(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-methylhexylamino)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations