Geometry & MOs

Info

ID:	246048
PubChem CID:	103038734
Reduced:	ClFO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	296.109169
ΔH_f, kcal/mol:	-226.88
Dipole, Da:	3.91
IP(EA), eV:	-9.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC(=C(C=C1)F)Cl)C(=O)OCC

DOS

IR

Vibrations