Geometry & MOs

Info

ID:	285099
PubChem CID:	104097911
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	325.97246
ΔH_f, kcal/mol:	64.48
Dipole, Da:	6.02
IP(EA), eV:	-9.54(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1C(C1NCC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations