Geometry & MOs

Info

ID:	84918
PubChem CID:	49870655
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	422.244762
ΔH_f, kcal/mol:	34.51
Dipole, Da:	5.62
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[bis(trideuteriomethyl)amino]-N-[4-[3-(2-deuterioethynyl)anilino]-7-ethoxyquinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations