Geometry & MOs

Info

ID:	422753
PubChem CID:	135118354
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	5.2
IP(EA), eV:	-8.76(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CC2CCCN(C2)CC3=CC=C(C=C3)OCC4=CN(CCCC1=O)N=N4

DOS

IR

Vibrations