Geometry & MOs

Info

ID:	414535
PubChem CID:	135087494
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	320.20124
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	3.63
IP(EA), eV:	-8.66(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=NC=CN3C)O

DOS

IR

Vibrations