Geometry & MOs

Info

ID:	268110
PubChem CID:	103597909
Reduced:	NF2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	5.33
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C=CC(=O)NCCCOCC2=CC=CO2)F

DOS

IR

Vibrations