Geometry & MOs

Info

ID:	418317
PubChem CID:	135104183
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	463.204196
ΔH_f, kcal/mol:	-173.49
Dipole, Da:	3.82
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)N[C@]2(CC3(CCNCC3)OC[C@@H]2O)C

DOS

IR

Vibrations