Geometry & MOs

Info

ID:	426218
PubChem CID:	135142693
Reduced:	N5H11C16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	127.29
Dipole, Da:	2.42
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]-2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NC3=C4C=CNC4=NC=C3N2)C#N

DOS

IR

Vibrations