Geometry & MOs

Info

ID:	271351
PubChem CID:	103656034
Reduced:	BrClN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	8.32
Dipole, Da:	7.7
IP(EA), eV:	-9.9(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations