Geometry & MOs

Info

ID:	130334
PubChem CID:	51075631
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	6.02
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)NCCCN3C=CN=C3

DOS

IR

Vibrations