Geometry & MOs

Info

ID:	443782
PubChem CID:	135259983
Reduced:	FO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	222.091689
ΔH_f, kcal/mol:	18.73
Dipole, Da:	2.95
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2N=CC(=N2)NC(=O)CC3=CC=C(C=C3)C4(COC4)F)C#N

DOS

IR

Vibrations