Geometry & MOs

Info

ID:	270673
PubChem CID:	103637597
Reduced:	BrClON4C12H12 (1)
Stoich.:	ABCD4E12F12 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	23.06
Dipole, Da:	4.47
IP(EA), eV:	-9.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)NC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations