Geometry & MOs

Info

ID:	136841
PubChem CID:	52110779
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	360.14605
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	10.42
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NCC4=CC=CO4

DOS

IR

Vibrations