Geometry & MOs

Info

ID:	55500
PubChem CID:	17395472
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	1.4
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylhexan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations