Geometry & MOs

Info

ID:	263336
PubChem CID:	103358193
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	288.108562
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	6.13
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-(trifluoromethyl)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=C1)C(=O)N2CCC(C2)(C)O

DOS

IR

Vibrations