Geometry & MOs

Info

ID:	184858
PubChem CID:	77221429
Reduced:	FO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	4.13
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)C3=CC4=C(N3)C=C(C=C4)OC)NC(=O)C5=CC6=C(N5)C(=CC=C6)F

DOS

IR

Vibrations