Geometry & MOs

Info

ID:	342767
PubChem CID:	127265930
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	3.45
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-1-methyltriazol-4-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC2=CC=CC=C2OCC(F)(F)F

DOS

IR

Vibrations