Geometry & MOs

Info

ID:	358421
PubChem CID:	127295966
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	5.94
IP(EA), eV:	-9.02(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations