Geometry & MOs

Info

ID:	150898
PubChem CID:	53790595
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	3.1
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(benzenesulfinyl)phenyl]-6,7-dimethoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CC1C(=C(C#N)C(=O)NC2=CC=C(C=C2)C#N)OC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations