Geometry & MOs

Info

ID:	295427
PubChem CID:	117528584
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	3.14
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopropyl-3-methylbenzimidazol-5-yl)oxetane-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1C)C=C(C=C2)C3(CC3)C(=O)OC

DOS

IR

Vibrations