Geometry & MOs

Info

ID:	49278
PubChem CID:	11532601
Reduced:	ClON2H27C29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	455.12084
ΔH_f, kcal/mol:	34.12
Dipole, Da:	6.15
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1)CN(C2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

DOS

IR

Vibrations