Geometry & MOs

Info

ID:	273145
PubChem CID:	103770572
Reduced:	ClN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	3.42
IP(EA), eV:	-10.0(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations