Geometry & MOs

Info

ID:	285323
PubChem CID:	104099045
Reduced:	ClN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	74.11
Dipole, Da:	4.46
IP(EA), eV:	-9.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNCCN2C=CN=N2

DOS

IR

Vibrations