Geometry & MOs

Info

ID:	174769
PubChem CID:	75812553
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	413.156241
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	7.22
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations