Geometry & MOs

Info

ID:	299042
PubChem CID:	117669922
Reduced:	O2N3C6H9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	2.72
IP(EA), eV:	-9.64(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[[(1S,2S,3S)-3-(2-hydroxyethyl)-2-bicyclo[3.3.1]nonanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2CNC2=O

DOS

IR

Vibrations