Geometry & MOs

Info

ID:	430006
PubChem CID:	135170063
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	289.91077
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	2.7
IP(EA), eV:	-8.82(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-iodoquinazoline

Drug info:

PubChemData

Smile

CC(C)OC(CC(C)(C)OC1=CC=CC=C1)COCC=C

DOS

IR

Vibrations