Geometry & MOs

Info

ID:	190010
PubChem CID:	77940590
Reduced:	ClN3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	273.097663
ΔH_f, kcal/mol:	19.92
Dipole, Da:	4.36
IP(EA), eV:	-8.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxypyrrolidin-1-yl)-[4-methyl-3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)Cl)C2CCC3C(C2)CNN3

DOS

IR

Vibrations