Geometry & MOs

Info

ID:	205999
PubChem CID:	80187566
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	300.144948
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	2.89
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpyrrolidin-1-yl)-[2-(methylamino)-3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=NC3=CC=CC=C3C(=C2)NC)C

DOS

IR

Vibrations