Geometry & MOs

Info

ID:	195390
PubChem CID:	78681066
Reduced:	ClON6C16H19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	360.138188
ΔH_f, kcal/mol:	36.48
Dipole, Da:	4.18
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methyl-ethyl-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(NC2=O)CN3N=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations