Geometry & MOs

Info

ID:	136838
PubChem CID:	52110137
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	375.145715
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	1.21
IP(EA), eV:	-8.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-[[4-(furan-2-ylmethylamino)quinazolin-3-ium-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCCO

DOS

IR

Vibrations