Geometry & MOs

Info

ID:	441245
PubChem CID:	135233774
Reduced:	F2N6C11H20 (1)
Stoich.:	A2B6C11D20 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	-26.79
Dipole, Da:	5.19
IP(EA), eV:	-8.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(6E)-4,4-dimethyl-2,3,5,8-tetrahydrooxocin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC(/N=C\N(C)CC(F)F)N(C)/C=C(/C#N)\NNC

DOS

IR

Vibrations