Geometry & MOs

Info

ID:	423616
PubChem CID:	135119858
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	3.62
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C

DOS

IR

Vibrations