Geometry & MOs

Info

ID:	292855
PubChem CID:	117360939
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	1.34
IP(EA), eV:	-8.79(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(3-chloro-2,5-dimethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2CCCC2=C(C=C1)C3(CCCCC3)CN

DOS

IR

Vibrations