Geometry & MOs

Info

ID:	206887
PubChem CID:	80319505
Reduced:	BrNSC14H24 (1)
Stoich.:	ABCD14E24 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	2.45
IP(EA), eV:	-8.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)C(CC1=NC(=CS1)C(C)(C)C)C(C)Br

DOS

IR

Vibrations