Geometry & MOs

Info

ID:	426256
PubChem CID:	135142942
Reduced:	N3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	135.17
Dipole, Da:	3.5
IP(EA), eV:	-8.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl N-[[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C/C=C\C(=C/1\C(=C/N=C)\N=C(N1C)CC(=C)NC2=CN(N=C2)C)\C(C)C

DOS

IR

Vibrations