Geometry & MOs

Info

ID:	436419
PubChem CID:	135200811
Reduced:	FNO4C24H36 (1)
Stoich.:	ABC4D24E36 (1)
Weight, g/mol:	392.315127
ΔH_f, kcal/mol:	-251.72
Dipole, Da:	2.97
IP(EA), eV:	-9.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-[2-[3-aminopropyl(methyl)amino]ethylamino]butyl]-N-butylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H](C2CCCC2)[C@H](C)OCC(C)(C=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations