Geometry & MOs

Info

ID:	364769
PubChem CID:	127316100
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	5.12
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)CC3=NC=CN3)C4CC4

DOS

IR

Vibrations