Geometry & MOs

Info

ID:	206834
PubChem CID:	80307048
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	1.36
IP(EA), eV:	-8.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)COC(=O)CCOC2=CC=C(C=C2)N)C

DOS

IR

Vibrations