Geometry & MOs

Info

ID:	285142
PubChem CID:	104098331
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-20.41
Dipole, Da:	5.41
IP(EA), eV:	-9.61(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(CO)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations