Geometry & MOs

Info

ID:	426213
PubChem CID:	135142685
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	455.243359
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	2.67
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(=O)NCC1=NC2=C3C=CNC3=NC=C2N1

DOS

IR

Vibrations