Geometry & MOs

Info

ID:	435826
PubChem CID:	135192517
Reduced:	Cl2F2O2N7H27C29 (1)
Stoich.:	A2B2C2D7E27F29 (1)
Weight, g/mol:	153.15175
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	1.77
IP(EA), eV:	-8.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N/C=C(\N)/Cl

DOS

IR

Vibrations