Geometry & MOs

Info

ID:	150170
PubChem CID:	53789857
Reduced:	N2O3C28H38 (1)
Stoich.:	A2B3C28D38 (1)
Weight, g/mol:	430.243185
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	5.37
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC(=CC=CC(=O)N[C@H](C)CCCC1=CN=CC=C1)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations