Geometry & MOs

Info

ID:	272186
PubChem CID:	103734203
Reduced:	BrFNO4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	315.098584
ΔH_f, kcal/mol:	-192.12
Dipole, Da:	3.33
IP(EA), eV:	-9.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1CN(CCO1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations