Geometry & MOs

Info

ID:	169405
PubChem CID:	75101605
Reduced:	O3N4C33H46 (1)
Stoich.:	A3B4C33D46 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	5.89
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC2CC(N(C2)CC=CC3=CC=CC=C3)C(=O)N4CCC5=CC(=C(C=C5C4)OC)OC

DOS

IR

Vibrations