Geometry & MOs

Info

ID:	38102
PubChem CID:	8027028
Reduced:	ON2H8C11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	328.121665
ΔH_f, kcal/mol:	62.23
Dipole, Da:	3.86
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations