Geometry & MOs

Info

ID:	184666
PubChem CID:	77190049
Reduced:	ClN4O4C31H35 (1)
Stoich.:	AB4C4D31E35 (1)
Weight, g/mol:	480.273656
ΔH_f, kcal/mol:	-124.51
Dipole, Da:	6.09
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(3-methoxyphenoxy)-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]butan-2-one

Drug info:

PubChemData

Smile

COCCCN1C2=C(C=CC(=C2)Cl)N=C1C3CCCN(C3)C(=O)CC(CC4=CC5=CC=CC=C5C=C4)NC(=O)O

DOS

IR

Vibrations