Geometry & MOs

Info

ID:	420359
PubChem CID:	135112702
Reduced:	N5O7C31H49 (1)
Stoich.:	A5B7C31D49 (1)
Weight, g/mol:	310.149284
ΔH_f, kcal/mol:	-323.43
Dipole, Da:	9.1
IP(EA), eV:	-8.45(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-difluorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CCOCCC(=O)N1C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1)CC(C)C)CC2=CC=C(C=C2)OC)C)C(C)C

DOS

IR

Vibrations