Geometry & MOs

Info

ID:	319921
PubChem CID:	126657591
Reduced:	FN8H25C27 (1)
Stoich.:	AB8C25D27 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	169.88
Dipole, Da:	10.34
IP(EA), eV:	-8.42(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N/C(=C/N=C)/C=C(\C)/C1=CC\2=C(NN/C2=C/3\N=C4C=NC=C(C4=N3)C5=CC(=CC=C5)F)N=C1

DOS

IR

Vibrations