Geometry & MOs

Info

ID:	393528
PubChem CID:	135020901
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	546.16304
ΔH_f, kcal/mol:	-3.89
Dipole, Da:	4.02
IP(EA), eV:	-9.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-4-bromo-N-[3-(methylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1C[C@@]1(C#N)C2=CC=C(C=C2)OC

DOS

IR

Vibrations