Geometry & MOs

Info

ID:	248718
PubChem CID:	103083894
Reduced:	BrSN2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	368.0558
ΔH_f, kcal/mol:	22.86
Dipole, Da:	2.36
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNCC1=C(N=C(S1)C2=C(C=C(C=C2)Br)C)C(C)C

DOS

IR

Vibrations