Geometry & MOs

Info

ID:	426246
PubChem CID:	135142931
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	73.6
Dipole, Da:	3.44
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCNC(=C)CC1=NC2=CN=C3C(=C2N1C)C=CN3

DOS

IR

Vibrations