Geometry & MOs

Info

ID:	154656
PubChem CID:	56314143
Reduced:	F3N3O3C25H26 (1)
Stoich.:	A3B3C3D25E26 (1)
Weight, g/mol:	469.237685
ΔH_f, kcal/mol:	-221.12
Dipole, Da:	2.89
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations