Geometry & MOs

Info

ID:	218842
PubChem CID:	85090053
Reduced:	N2O10C25H28 (1)
Stoich.:	A2B10C25D28 (1)
Weight, g/mol:	516.153266
ΔH_f, kcal/mol:	-313.25
Dipole, Da:	5.31
IP(EA), eV:	-9.65(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-[5-benzyl-2,3-bis(methoxycarbonyl)phenyl]ethenyl]-2-cyanopyrrole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N(OC(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3

DOS

IR

Vibrations