Geometry & MOs

Info

ID:	367018
PubChem CID:	127322950
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	3.84
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-tert-butylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)C(C)C)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations