Geometry & MOs

Info

ID:	283442
PubChem CID:	103981441
Reduced:	BrON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	-21.56
Dipole, Da:	5.93
IP(EA), eV:	-8.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-nitrophenyl)azepan-4-amine

Drug info:

PubChemData

Smile

C1CC(CCNC1)NC2=C(C=C3C(=C2)NC(=O)N3)Br

DOS

IR

Vibrations