Geometry & MOs

Info

ID:	209769
PubChem CID:	80719710
Reduced:	NOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	0.91
IP(EA), eV:	-8.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(S1)C)COC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations