Geometry & MOs

Info

ID:	285304
PubChem CID:	104098992
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	298.124132
ΔH_f, kcal/mol:	0.56
Dipole, Da:	3.0
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNCCN2C=CN=N2)OC

DOS

IR

Vibrations