Geometry & MOs

Info

ID:	270972
PubChem CID:	103639039
Reduced:	BrNF2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	337.0062
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	3.18
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations