Geometry & MOs

Info

ID:	128293
PubChem CID:	51037802
Reduced:	SO5N7C27H31 (1)
Stoich.:	AB5C7D27E31 (1)
Weight, g/mol:	337.05936
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	3.52
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCOCCOCCNS(=O)(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)O

DOS

IR

Vibrations