Geometry & MOs

Info

ID:	306058
PubChem CID:	125001491
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	354.175499
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	7.09
IP(EA), eV:	-9.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C2=NC(=O)C=C(N2)C3=CC=NC=C3

DOS

IR

Vibrations