Geometry & MOs

Info

ID:	382301
PubChem CID:	134973369
Reduced:	PN3C21H38 (1)
Stoich.:	AB3C21D38 (1)
Weight, g/mol:	324.168522
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	4.58
IP(EA), eV:	-7.91(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2,6-dioxocyclohexyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)P1(=NC(C)(C)C)N(CCCN1CC2=CC=C(C=C2)C)C

DOS

IR

Vibrations