Geometry & MOs

Info

ID:	200000
PubChem CID:	79330206
Reduced:	NS2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	339.11978
ΔH_f, kcal/mol:	42.48
Dipole, Da:	3.88
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-propoxyphenyl)methylidene]-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=CC1=CC(=CS1)C2=CC=CS2)CC

DOS

IR

Vibrations