Geometry & MOs

Info

ID:	327659
PubChem CID:	126690662
Reduced:	F3N3O6H34C35 (1)
Stoich.:	A3B3C6D34E35 (1)
Weight, g/mol:	177.128427
ΔH_f, kcal/mol:	-341.34
Dipole, Da:	9.09
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-ethyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN(CC(O)O)C(=O)C3=CC=C(C=C3)NC(=O)CC4=C(C=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations