Geometry & MOs

Info

ID:	448880
PubChem CID:	135294224
Reduced:	SF2N2C24H38 (1)
Stoich.:	AB2C2D24E38 (1)
Weight, g/mol:	443.398797
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	4.83
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydropyridin-5-yl)-N-hex-5-enyl-N'-methyl-N'-[2-methyl-5-(3-methyl-2-propan-2-yldiaziridin-1-yl)hex-1-en-3-yl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)[C@H](CCN2C3CCC2CC(C3)C)NCC4CCC(CC4)(F)F

DOS

IR

Vibrations