Geometry & MOs

Info

ID:	223474
PubChem CID:	85335095
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-218.57
Dipole, Da:	2.95
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-N-hydroxy-6-oxo-7-(4-phenylphenyl)-2,3,4,8,9,9a-hexahydro-1H-quinolizine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2=CC=CC=C2C(F)(F)F)CC3C(=O)NCCN3

DOS

IR

Vibrations