Geometry & MOs

Info

ID:	130977
PubChem CID:	51137944
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	27.91
Dipole, Da:	3.64
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,11S)-N-(2-acetamidoethyl)-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(O1)[C@H]2CCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations