Geometry & MOs

Info

ID:	252925
PubChem CID:	103114965
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	352.02227
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	9.3
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-3-fluorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CCOC(CCNCC1=C(C(=CC=C1)[N+](=O)[O-])C)OCC

DOS

IR

Vibrations