Geometry & MOs

Info

ID:	354035
PubChem CID:	127285692
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	3.3
IP(EA), eV:	-8.75(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2CCCCC2CC3=CC=CC=C3

DOS

IR

Vibrations