Geometry & MOs

Info

ID:	285112
PubChem CID:	104098240
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	7.16
IP(EA), eV:	-9.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(5-nitrothiophen-2-yl)methyl]cycloheptan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CCO)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations