Geometry & MOs

Info

ID:	272566
PubChem CID:	103747526
Reduced:	ION2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	273.023581
ΔH_f, kcal/mol:	43.46
Dipole, Da:	2.57
IP(EA), eV:	-8.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-fluoroaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC3=C2C=NC=C3)I

DOS

IR

Vibrations