Geometry & MOs

Info

ID:	181229
PubChem CID:	76718806
Reduced:	BrON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	7.68
Dipole, Da:	4.45
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(methylamino)-3-(1-phenylbutan-2-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C

DOS

IR

Vibrations