Geometry & MOs

Info

ID:	266829
PubChem CID:	103579701
Reduced:	BrNC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	310.01393
ΔH_f, kcal/mol:	41.47
Dipole, Da:	2.85
IP(EA), eV:	-8.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCCC#C

DOS

IR

Vibrations