Geometry & MOs

Info

ID:	153501
PubChem CID:	56312733
Reduced:	O2F3N4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	409.161326
ΔH_f, kcal/mol:	-198.22
Dipole, Da:	5.18
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations