Geometry & MOs

Info

ID:	435660
PubChem CID:	135192090
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	275.168543
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	1.71
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2Z)-2-butan-2-ylidene-4-[(3-fluorophenyl)methyl]hex-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN=C/C=C(/C(=O)N[C@H]2COC3=CC=CC=C3N(C2=O)C)\N

DOS

IR

Vibrations