Geometry & MOs

Info

ID:	153992
PubChem CID:	56313351
Reduced:	FN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	417.185255
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	6.25
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations