Geometry & MOs

Info

ID:	205782
PubChem CID:	80157043
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	78.66
Dipole, Da:	2.63
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-N-(6-nitro-1H-benzimidazol-2-yl)cyclobutane-1,2-diamine

Drug info:

PubChemData

Smile

CNCC1=CN=C(C=C1)CN(CC2=CC=CS2)C3CC3

DOS

IR

Vibrations