Geometry & MOs

Info

ID:	447070
PubChem CID:	135280027
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	27.64
Dipole, Da:	4.22
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(azetidin-3-yl)benzimidazol-5-yl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)N2C=NC3=C2C=CC(=C3)C4=CC(=CC5=CC=CC=C54)OC(=O)C=C

DOS

IR

Vibrations