Geometry & MOs

Info

ID:	421379
PubChem CID:	135115895
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	54.52
Dipole, Da:	4.14
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC2=C(S1)CCN(C2)CC3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations