Geometry & MOs

Info

ID:	143452
PubChem CID:	53210876
Reduced:	ClOF2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	448.01466
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	7.08
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-bromo-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrazin-2-yl]phenol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C3=NC(=O)CC(C3=CN2)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations