Geometry & MOs

Info

ID:	17136
PubChem CID:	485431
Reduced:	NCl2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	231.058155
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	2.06
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorophenyl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CCCCNCC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations