Geometry & MOs

Info

ID:	225952
PubChem CID:	87246475
Reduced:	S2N3O3C9H9 (1)
Stoich.:	A2B3C3D9E9 (1)
Weight, g/mol:	275.043709
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	4.75
IP(EA), eV:	-9.05(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-7-(trifluoromethyl)quinazolin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=NC=CN=C2)OS(=O)(=O)C

DOS

IR

Vibrations