Geometry & MOs

Info

ID:	297218
PubChem CID:	117613295
Reduced:	FO4N5C13H18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	417.179475
ΔH_f, kcal/mol:	-164.5
Dipole, Da:	2.91
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[5-[4-chloro-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]methyl]-N'-methylethane-1,2-diamine

Drug info:

PubChemData

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CC[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OC)N)CO)F)O

DOS

IR

Vibrations