Geometry & MOs

Info

ID:	76777
PubChem CID:	48425365
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-221.45
Dipole, Da:	2.06
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]-N-[2-(diethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations