Geometry & MOs

Info

ID:	217253
PubChem CID:	85087506
Reduced:	PN5O7C10H14 (1)
Stoich.:	AB5C7D10E14 (1)
Weight, g/mol:	346.063968
ΔH_f, kcal/mol:	-284.4
Dipole, Da:	8.47
IP(EA), eV:	-9.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dichlorophenyl)-2-methyl-7-propan-2-yl-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1C(OC(C1OP(=O)(O)O)N2C=NC3C2=NC(=NC3=O)N)CO

DOS

IR

Vibrations