Geometry & MOs

Info

ID:	269120
PubChem CID:	103614762
Reduced:	BrOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	370.03506
ΔH_f, kcal/mol:	7.19
Dipole, Da:	2.27
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations