Geometry & MOs

Info

ID:	13681
PubChem CID:	396873
Reduced:	F3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	371.145676
ΔH_f, kcal/mol:	-278.49
Dipole, Da:	8.16
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-3-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]carbamoyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(N)N1CCCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations