Geometry & MOs

Info

ID:	423624
PubChem CID:	135119866
Reduced:	NO3F4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-345.81
Dipole, Da:	7.02
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC(=CC(=C3)F)C(F)(F)F)O

DOS

IR

Vibrations