Geometry & MOs

Info

ID:	203113
PubChem CID:	79781444
Reduced:	BrFINOH12C16 (1)
Stoich.:	ABCDEF12G16 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	5.01
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3-methylimidazol-4-yl)methoxy]pyridin-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=C1C=CC(=C2)I)CC3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations