Geometry & MOs

Info

ID:	57812
PubChem CID:	24277520
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	3.29
IP(EA), eV:	-8.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-methyl-1,3-thiazol-2-yl]methanamine

Drug info:

PubChemData

Smile

COCC(C1=CC2=C(C=C1)OCCC2)N

DOS

IR

Vibrations