Geometry & MOs

Info

ID:	416347
PubChem CID:	135089360
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	4.06
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(O1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4)O

DOS

IR

Vibrations