Geometry & MOs

Info

ID:	200271
PubChem CID:	79374901
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	3.34
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-propan-2-yl-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)OC)CCNC2=CC(=CC=C2)Br

DOS

IR

Vibrations