Geometry & MOs

Info

ID:	26891
PubChem CID:	803227
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	293.00514
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	7.9
IP(EA), eV:	-9.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4-methylphenyl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations