Geometry & MOs

Info

ID:	200001
PubChem CID:	79330212
Reduced:	BrNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	297.149557
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=CC1=C(C=CC(=C1)Br)OCCC)CC

DOS

IR

Vibrations