Geometry & MOs

Info

ID:	426202
PubChem CID:	135142648
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	42.06
Dipole, Da:	1.95
IP(EA), eV:	-7.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C2=CC3=C(N2)C=C(C=C3)C4=CNCC=C4

DOS

IR

Vibrations