Geometry & MOs

Info

ID:	285240
PubChem CID:	104098764
Reduced:	FN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	27.55
Dipole, Da:	4.44
IP(EA), eV:	-9.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations