Geometry & MOs

Info

ID:	397116
PubChem CID:	135029754
Reduced:	ClO4C31H45 (1)
Stoich.:	AB4C31D45 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-179.92
Dipole, Da:	6.4
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methoxybenzotriazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC)Cl

DOS

IR

Vibrations