Geometry & MOs

Info

ID:	141705
PubChem CID:	52919241
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	527.19038
ΔH_f, kcal/mol:	54.27
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-0.88)
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-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1)N=C(N=C2N(C)C)SC3=CN=CC=C3)C=O

DOS

IR

Vibrations