Geometry & MOs

Info

ID:	445611
PubChem CID:	135268516
Reduced:	FO2N6H23C24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	318.228283
ΔH_f, kcal/mol:	3.85
Dipole, Da:	4.08
IP(EA), eV:	-8.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-N'-(2,4-dimethylpent-4-enyl)-N-methyl-N'-propyl-2-(trifluoromethyl)penta-1,3-diene-1,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=NC=CN=C2OC)C3=NC=NC4=C3N=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations