Geometry & MOs

Info

ID:	424171
PubChem CID:	135121607
Reduced:	O2N6H20C25 (1)
Stoich.:	A2B6C20D25 (1)
Weight, g/mol:	436.164774
ΔH_f, kcal/mol:	76.5
Dipole, Da:	6.79
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C=NC=N5

DOS

IR

Vibrations