Geometry & MOs

Info

ID:	267376
PubChem CID:	103582038
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	4.68
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=COC(=C2)C

DOS

IR

Vibrations