Geometry & MOs

Info

ID:	261081
PubChem CID:	103216526
Reduced:	NOF5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	390.96585
ΔH_f, kcal/mol:	-287.42
Dipole, Da:	1.56
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-iodophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC(=C1)F)F)COCC(F)(F)F

DOS

IR

Vibrations