Geometry & MOs

Info

ID:	285166
PubChem CID:	104098447
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	53.18
Dipole, Da:	7.52
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C(C1=O)NCCN2C=CN=N2

DOS

IR

Vibrations