Geometry & MOs

Info

ID:	188257
PubChem CID:	77690661
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	506.27005
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	2.18
IP(EA), eV:	-8.96(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-oxo-1-[2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)C2C3CCC(C2C(=O)OC4CCN(C4)C)C35CC5

DOS

IR

Vibrations