Geometry & MOs

Info

ID:	227626
PubChem CID:	87562120
Reduced:	ClNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	315.200574
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	2.4
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CC(C1CC=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations