Geometry & MOs

Info

ID:	397259
PubChem CID:	135029965
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	239.009769
ΔH_f, kcal/mol:	-209.11
Dipole, Da:	5.44
IP(EA), eV:	-9.27(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(nitromethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C/C(=C\C[C@@]1([C@H]2CCCC3([C@@]2(CCC1=O)C)OCCO3)C)/CCO

DOS

IR

Vibrations