Geometry & MOs

Info

ID:	185321
PubChem CID:	77285092
Reduced:	F2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	345.195151
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	5.57
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[1-(4-fluoropyrrolidin-2-yl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]hex-2-enoate

Drug info:

PubChemData

Smile

CC(CCNC(C1=NC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)N

DOS

IR

Vibrations