Geometry & MOs

Info

ID:	416657
PubChem CID:	135089964
Reduced:	FNO2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	320.20124
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	4.37
IP(EA), eV:	-9.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=CC=CC=C2C(=O)N3CCCC(C3)COC)F

DOS

IR

Vibrations