Geometry & MOs

Info

ID:	84199
PubChem CID:	49865014
Reduced:	BrNO3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	4.58
IP(EA), eV:	-8.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=[N+](C=C3)CC4=CC=CC=C4)/O2.[Br-]

DOS

IR

Vibrations