Geometry & MOs

Info

ID:	180654
PubChem CID:	76664858
Reduced:	O3N5C28H39 (1)
Stoich.:	A3B5C28D39 (1)
Weight, g/mol:	424.222289
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	10.27
IP(EA), eV:	-8.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-2,7-naphthyridin-1-yl]amino]-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2CC3CCNC(=O)C3C(N2)NC4=CC=C(C=C4)C5CCN(CC5)CC(CO)O

DOS

IR

Vibrations