Geometry & MOs

Info

ID:	417972
PubChem CID:	135103199
Reduced:	ClFN2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	5.66
IP(EA), eV:	-9.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(3-phenoxypropyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2CCC(CC2)OC3=CN=CC=C3)Cl

DOS

IR

Vibrations