Geometry & MOs

Info

ID:	375457
PubChem CID:	131529802
Reduced:	N2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	78.28
Dipole, Da:	5.39
IP(EA), eV:	-8.23(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-(4-methyl-1,2,5-thiadiazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NN2C)NCCC#N

DOS

IR

Vibrations