Geometry & MOs

Info

ID:	200058
PubChem CID:	79338983
Reduced:	ClNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	1.25
IP(EA), eV:	-8.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=CC1=CC=C(O1)Cl)C(C)C

DOS

IR

Vibrations