Geometry & MOs

Info

ID:	142182
PubChem CID:	52997679
Reduced:	BrON3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	425.248542
ΔH_f, kcal/mol:	22.25
Dipole, Da:	2.15
IP(EA), eV:	-8.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl(propan-2-yl)amino]-1-(1-ethylcyclopentyl)-1-phenylbut-2-yn-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)C.Br

DOS

IR

Vibrations