Geometry & MOs

Info

ID:	357277
PubChem CID:	127293910
Reduced:	O2F3N3C17H18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	8.98
IP(EA), eV:	-9.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=CC4=C(C=C3)OC(=N4)C(F)(F)F

DOS

IR

Vibrations