Geometry & MOs

Info

ID:	285206
PubChem CID:	104098658
Reduced:	ON7C10H13 (1)
Stoich.:	AB7C10D13 (1)
Weight, g/mol:	282.022977
ΔH_f, kcal/mol:	69.84
Dipole, Da:	1.74
IP(EA), eV:	-9.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

CNC(=O)C1=NN=C(C=C1)NCCN2C=CN=N2

DOS

IR

Vibrations