Geometry & MOs

Info

ID:	188634
PubChem CID:	77746194
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	9.14
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1-hydroxycyclopropyl)ethynyl]phenyl]-4-oxo-N-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)OCC3CN4C(=CC(=O)N=C4O3)CO)C

DOS

IR

Vibrations