Geometry & MOs

Info

ID:	285131
PubChem CID:	104098284
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	9.04
IP(EA), eV:	-9.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations