Geometry & MOs

Info

ID:	46585
PubChem CID:	10525381
Reduced:	NOSeC22H33 (1)
Stoich.:	ABCD22E33 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	3.29
IP(EA), eV:	-8.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-benzyl-4-ethyl-3-(4-nitrophenyl)pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C/[C@H]1N(C([C@@H]2CC[C@H](C[C@H]2O1)C)(C)C)CC[Se]C3=CC=CC=C3

DOS

IR

Vibrations