Geometry & MOs

Info

ID:	427454
PubChem CID:	135159052
Reduced:	OF3N6H19C20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	181.18305
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	4.15
IP(EA), eV:	-8.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(Z)-but-2-enyl]-N,5-dimethylhex-2-en-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(/C(=C\3/NC4CC=C(C=C4N3)C(=N)N)/C2=O)CC(F)(F)F

DOS

IR

Vibrations