Geometry & MOs

Info

ID:	423552
PubChem CID:	135119719
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	1.19
IP(EA), eV:	-9.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=N1)N2CCC(CC2)(C3=CC=CC=C3)O

DOS

IR

Vibrations