Geometry & MOs

Info

ID:	299754
PubChem CID:	117689167
Reduced:	ClN3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	86.64
Dipole, Da:	2.18
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[bis(2-methoxyethyl)amino]-N-[2-(cyclopropylmethoxy)-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C(C2=CC=NC=C2)Cl

DOS

IR

Vibrations