Geometry & MOs

Info

ID:	39942
PubChem CID:	8143238
Reduced:	OSCl2N2H12C19 (1)
Stoich.:	ABC2D2E12F19 (1)
Weight, g/mol:	399.214464
ΔH_f, kcal/mol:	53.66
Dipole, Da:	0.56
IP(EA), eV:	-8.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC(=CC(=C4OC3=N)Cl)Cl

DOS

IR

Vibrations