Geometry & MOs

Info

ID:	150034
PubChem CID:	53789719
Reduced:	BrN2O4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	30.9
Dipole, Da:	4.42
IP(EA), eV:	-10.52(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-amino-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]-methylamino]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=C(C=NO2)C(=O)C3=C(C=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations