Geometry & MOs

Info

ID:	305929
PubChem CID:	124974881
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	355.170748
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	6.88
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCC(=O)N2CCO[C@@H](C2)CCC3=CC(=O)N=CN3)C

DOS

IR

Vibrations