Geometry & MOs

Info

ID:	79464
PubChem CID:	49754968
Reduced:	O2N3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	476.217203
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	4.75
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3)N4CCCC4=O

DOS

IR

Vibrations