Geometry & MOs

Info

ID:	401118
PubChem CID:	135050215
Reduced:	NO2C30H31 (1)
Stoich.:	AB2C30D31 (1)
Weight, g/mol:	346.125218
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	1.97
IP(EA), eV:	-8.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzotriazol-1-yl)-1-thiophen-2-yl-N-(2,4,6-trimethylphenyl)methanimine

Drug info:

PubChemData

Smile

CCC(=NC1=C(C2=CC=CC=C2C=C1C)C3=C(C=CC4=CC=CC=C43)OC)OC/C(=C/C)/C

DOS

IR

Vibrations