Geometry & MOs

Info

ID:	259553
PubChem CID:	103167959
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	2.58
IP(EA), eV:	-9.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2CCCC3=C2N=CC=C3

DOS

IR

Vibrations