Geometry & MOs

Info

ID:	429787
PubChem CID:	135169839
Reduced:	FIOSN4H12C18 (1)
Stoich.:	ABCDE4F12G18 (1)
Weight, g/mol:	217.09636
ΔH_f, kcal/mol:	35.5
Dipole, Da:	5.16
IP(EA), eV:	-9.28(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,5-dihydrotriazol-2-yl)-5-(methoxyamino)benzonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC(=C4C(=C3)C=CC=N4)F)SI

DOS

IR

Vibrations