Geometry & MOs

Info

ID:	414510
PubChem CID:	135087469
Reduced:	ClFON5H15C17 (1)
Stoich.:	ABCD5E15F17 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	7.57
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxy-3-methylphenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)NCCC2=NC(=NN2)C3=CN=CC=C3)Cl

DOS

IR

Vibrations