Geometry & MOs

Info

ID:	415134
PubChem CID:	135088120
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-105.04
Dipole, Da:	11.2
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-benzyl-7-(2-hydroxyacetyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C4=NC(=CN=C4)C(=O)O)OCC2

DOS

IR

Vibrations