Geometry & MOs

Info

ID:	285937
PubChem CID:	104138918
Reduced:	BrClN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	3.27
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NC2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations