Geometry & MOs

Info

ID:	423701
PubChem CID:	135120048
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	298.156039
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	5.91
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[2-(4-chloropyrazol-1-yl)ethyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)NC3COC4=CC=CC=C34

DOS

IR

Vibrations