Geometry & MOs

Info

ID:	165725
PubChem CID:	74587513
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	11.75
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(benzenesulfonamido)-3-methylpentanamide

Drug info:

PubChemData

Smile

COCCN1C(C(C(=O)NC1=O)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)[O-]

DOS

IR

Vibrations