Geometry & MOs

Info

ID:	363816
PubChem CID:	127313473
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	6.87
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations