Geometry & MOs

Info

ID:	424780
PubChem CID:	135123893
Reduced:	CO3N4H6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	2.22
IP(EA), eV:	-10.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-4-methylbenzotriazol-5-yl)-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]methanol

Drug info:

PubChemData

Smile

C(=O)(N)N.N[N+](=O)[O-]

DOS

IR

Vibrations