Geometry & MOs

Info

ID:	201425
PubChem CID:	79538818
Reduced:	NF3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	-259.03
Dipole, Da:	4.66
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)C2=CC(=C(C(=C2F)O)F)F)O

DOS

IR

Vibrations