Geometry & MOs

Info

ID:	184655
PubChem CID:	77189699
Reduced:	OBr2N2C18H38 (1)
Stoich.:	AB2C2D18E38 (1)
Weight, g/mol:	558.28422
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	7.46
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCO.CC1CCCN(C1)CCCBr.Br

DOS

IR

Vibrations