Geometry & MOs

Info

ID:	311397
PubChem CID:	126591352
Reduced:	NOC16H29 (1)
Stoich.:	ABC16D29 (1)
Weight, g/mol:	359.150842
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	4.2
IP(EA), eV:	-8.3(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-7a-[2,3-difluoro-5-(2-methylpropyl)phenyl]-3-fluoro-3-(fluoromethyl)-4,4a,5,7-tetrahydro-1H-furo[3,4-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCCC/C(=C(\CCC)/N)/C(C)C(=C)C1[C@@H](O1)C

DOS

IR

Vibrations