Geometry & MOs

Info

ID:	201830
PubChem CID:	79589903
Reduced:	BrNH18C19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	52.36
Dipole, Da:	0.69
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C2=CC=C(C3=CC=CC=C32)Br)N

DOS

IR

Vibrations