Geometry & MOs

Info

ID:	176061
PubChem CID:	75989800
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	423.240959
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	3.79
IP(EA), eV:	-9.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 3-[1-methyl-5-(4-methylphenyl)-2-[3-(2-methylpropoxy)-3-oxoprop-1-enyl]pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)C2(C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations