Geometry & MOs

Info

ID:	348407
PubChem CID:	127273500
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	7.31
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)CC4=C(ON=C4C)C

DOS

IR

Vibrations