Geometry & MOs

Info

ID:	245175
PubChem CID:	99437750
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	4.11
IP(EA), eV:	-8.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[4-(oxan-4-ylamino)phenyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC(=O)NC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4CCOCC4

DOS

IR

Vibrations