Geometry & MOs

Info

ID:	17135
PubChem CID:	485430
Reduced:	NCl2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	217.042505
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	1.81
IP(EA), eV:	-9.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations