Geometry & MOs

Info

ID:	196055
PubChem CID:	78774433
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-218.58
Dipole, Da:	4.49
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-cyclohexyl-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)C2=C(C(=CC=C2)OC)OC(F)F

DOS

IR

Vibrations