Geometry & MOs

Info

ID:	156010
PubChem CID:	56368749
Reduced:	BrClO2N3C18H27 (1)
Stoich.:	ABC2D3E18F27 (1)
Weight, g/mol:	438.095805
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	3.6
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methoxy-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(CCN1CCOCC1)C(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations