Geometry & MOs

Info

ID:	285315
PubChem CID:	104099018
Reduced:	N6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	79.34
Dipole, Da:	1.89
IP(EA), eV:	-9.03(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNCCN2C=CN=N2

DOS

IR

Vibrations