Geometry & MOs

Info

ID:	327019
PubChem CID:	126688873
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	389.141866
ΔH_f, kcal/mol:	90.07
Dipole, Da:	0.28
IP(EA), eV:	-9.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-ethoxy-6-N-[2-(methylamino)ethyl]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

C1C2CC1(C2)/C=N/OCC3=CC=CC=C3

DOS

IR

Vibrations