Geometry & MOs

Info

ID:	136840
PubChem CID:	52110778
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	2.2
IP(EA), eV:	-8.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

DOS

IR

Vibrations