Geometry & MOs

Info

ID:	190210
PubChem CID:	77969250
Reduced:	IN3O4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	-151.56
Dipole, Da:	7.34
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC(CCO)CC2=CC=C(C=C2)NC(=O)N(C)C(C)(C)C)I

DOS

IR

Vibrations