Geometry & MOs

Info

ID:	25819
PubChem CID:	631224
Reduced:	BrN3O4H10C16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	21.12
Dipole, Da:	2.77
IP(EA), eV:	-9.6(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,4-di(propan-2-yloxy)benzene

Drug info:

PubChemData

Smile

C1=CC2=NC(=CC(=C2C=C1Br)C(=O)N)C=CC3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations