Geometry & MOs

Info

ID:	130671
PubChem CID:	51091973
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	324.140925
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	5.3
IP(EA), eV:	-9.35(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CCOC2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CC3

DOS

IR

Vibrations