Geometry & MOs

Info

ID:	417281
PubChem CID:	135091917
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	2.03
IP(EA), eV:	-9.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-methyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations