Geometry & MOs

Info

ID:	276059
PubChem CID:	103820237
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	3.95
IP(EA), eV:	-9.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CCN(C)C(=O)CNCC1=CC=C(O1)Br

DOS

IR

Vibrations