Geometry & MOs

Info

ID:	334831
PubChem CID:	127253637
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	375.288577
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	3.38
IP(EA), eV:	-8.4(0.06)
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]-N-(3-methoxypropyl)-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

COCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations