Geometry & MOs

Info

ID:	158869
PubChem CID:	57244118
Reduced:	N2C23H30 (1)
Stoich.:	A2B23C30 (1)
Weight, g/mol:	191.107692
ΔH_f, kcal/mol:	36.74
Dipole, Da:	1.84
IP(EA), eV:	-8.41(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(hexylamino)propan-2-one

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)CC2=CC=CC=C2)C3CCCC4=CC=CC=C34

DOS

IR

Vibrations