Geometry & MOs

Info

ID:	175754
PubChem CID:	75943419
Reduced:	OF2N2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	415.208276
ΔH_f, kcal/mol:	-246.58
Dipole, Da:	7.58
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CN=CC=C2)CCC(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations