Geometry & MOs

Info

ID:	83702
PubChem CID:	49860272
Reduced:	ClOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	418.202321
ΔH_f, kcal/mol:	0.79
Dipole, Da:	1.08
IP(EA), eV:	-7.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenoxy]-N,N-diethylbutan-1-amine;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NCCN1C2=C3C(=C(C=C2)N)SC4=CC=CC=C4C3=N1.Cl

DOS

IR

Vibrations