Geometry & MOs

Info

ID:	164261
PubChem CID:	74382626
Reduced:	FON2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	402.230728
ΔH_f, kcal/mol:	-175.47
Dipole, Da:	9.03
IP(EA), eV:	-9.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[cyclopropyl(phenyl)methyl]-3-(4-hexoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CC(C(=O)NC1(CC1)C#N)NC(=O)N2CCC3(C2)CCCC3)(F)F

DOS

IR

Vibrations