Geometry & MOs

Info

ID:	194870
PubChem CID:	78600166
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	414.06914
ΔH_f, kcal/mol:	-2.91
Dipole, Da:	5.06
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC(=CC=C1)O)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

DOS

IR

Vibrations