Geometry & MOs

Info

ID:	415658
PubChem CID:	135088657
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	418.182733
ΔH_f, kcal/mol:	-42.52
Dipole, Da:	6.0
IP(EA), eV:	-8.66(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-methyl-7-[(4-pyridin-2-ylphenyl)methyl]-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C)OC

DOS

IR

Vibrations