Geometry & MOs

Info

ID:	134798
PubChem CID:	51757639
Reduced:	BrN2O3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-135.21
Dipole, Da:	3.47
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)O)C(=O)NC(C)(C)C)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations