Geometry & MOs

Info

ID:	170336
PubChem CID:	75218486
Reduced:	N4O9C41H46 (1)
Stoich.:	A4B9C41D46 (1)
Weight, g/mol:	369.085574
ΔH_f, kcal/mol:	-302.39
Dipole, Da:	6.67
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations