Geometry & MOs

Info

ID:	46923
PubChem CID:	10528416
Reduced:	ClN3O3H22C27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	473.112529
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	7.94
IP(EA), eV:	-8.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diethoxy-N-(3-trimethylstannylphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

DOS

IR

Vibrations