Geometry & MOs

Info

ID:	443786
PubChem CID:	135259988
Reduced:	N2O2C29H38 (1)
Stoich.:	A2B2C29D38 (1)
Weight, g/mol:	240.082267
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	6.9
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluoro-5-methoxyphenyl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)CC3=CC=CC=C3C4=CCC(CC4)(C)C

DOS

IR

Vibrations