Geometry & MOs

Info

ID:	352017
PubChem CID:	127282935
Reduced:	ON3C10H17 (2)
Stoich.:	AB3C10D17 (2)
Weight, g/mol:	391.294725
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	5.36
IP(EA), eV:	-8.83(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3)C

DOS

IR

Vibrations