Geometry & MOs

Info

ID:	284282
PubChem CID:	104039544
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	271.133907
ΔH_f, kcal/mol:	-8.92
Dipole, Da:	1.8
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)propyl]-2,3-dimethoxypropan-1-amine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C)CNC(=O)C2=NC=NN2

DOS

IR

Vibrations