Geometry & MOs

Info

ID:	191192
PubChem CID:	78116125
Reduced:	O4C29H40 (1)
Stoich.:	A4B29C40 (1)
Weight, g/mol:	413.09904
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	1.83
IP(EA), eV:	-8.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-bromophenyl)methyl]-5-phenyl-3,4-dihydropyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C=CC2=COC3CCCC(C3C2=O)OCC4CCCCC4)O

DOS

IR

Vibrations