Geometry & MOs

Info

ID:	184665
PubChem CID:	77190048
Reduced:	O5N6C33H44 (1)
Stoich.:	A5B6C33D44 (1)
Weight, g/mol:	562.234683
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	3.46
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)CC(CC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4CCCOC)NC(=O)O

DOS

IR

Vibrations