Geometry & MOs

Info

ID:	285301
PubChem CID:	104098985
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	56.24
Dipole, Da:	5.0
IP(EA), eV:	-9.07(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations