Geometry & MOs

Info

ID:	285326
PubChem CID:	104099049
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	65.9
Dipole, Da:	4.38
IP(EA), eV:	-9.02(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CNCCN2C=CN=N2

DOS

IR

Vibrations