Geometry & MOs

Info

ID:	357038
PubChem CID:	127293107
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	10.03
Dipole, Da:	4.86
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-(1-cyclopentylpyrrolidin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3CCN(C3)C4CCCC4)C

DOS

IR

Vibrations