Geometry & MOs

Info

ID:	285957
PubChem CID:	104141276
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	366.04984
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	1.53
IP(EA), eV:	-9.23(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-4-(chloromethyl)-N-methyl-6-propylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CO)OCCCC2=CC=CC=C2

DOS

IR

Vibrations