Geometry & MOs

Info

ID:	164308
PubChem CID:	74382804
Reduced:	SN2O3C25H40 (1)
Stoich.:	AB2C3D25E40 (1)
Weight, g/mol:	776.412215
ΔH_f, kcal/mol:	-146.88
Dipole, Da:	3.32
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;2-methyl-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations