Geometry & MOs

Info

ID:	293233
PubChem CID:	117377898
Reduced:	ClNOF2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	3.71
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-imidazol-1-ylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1F)Cl)F)CCCCN

DOS

IR

Vibrations