Geometry & MOs

Info

ID:	268136
PubChem CID:	103598010
Reduced:	NOF2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-193.01
Dipole, Da:	4.28
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N(CC2=CC=C(C=C2)C#N)CC(F)(F)F)F

DOS

IR

Vibrations