Geometry & MOs

Info

ID:	206764
PubChem CID:	80296445
Reduced:	NSO5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	281.109503
ΔH_f, kcal/mol:	-201.19
Dipole, Da:	6.35
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC(C)CCCO)OC)OC

DOS

IR

Vibrations