Geometry & MOs

Info

ID:	210874
PubChem CID:	80866332
Reduced:	OCl2N4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	23.41
Dipole, Da:	4.52
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-propoxyquinazolin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC(=NC(=N2)N)Cl)Cl

DOS

IR

Vibrations