Geometry & MOs

Info

ID:	285748
PubChem CID:	104124723
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	254.154976
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	1.73
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-N-ethyl-6-methyl-N-(2-methylbutyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)OC2=CC3=C(C=C2)C=C(C=C3)Br)CO

DOS

IR

Vibrations