Geometry & MOs

Info

ID:	252878
PubChem CID:	103114739
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	413.94015
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	6.67
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dibromophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations